Benzenepropanol, gamma-methyl-

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  • Identifiers

    CAS number
    2722-36-3

    Molecular formula
    C10H14O

    SMILES
    CC(CCO)C1=CC=CC=C1

  • Odor profile

    Fragrance
    Floral 91.29%
    Green 79.94%
    Rose 61.33%
    Sweet 55.51%
    Fresh 52.26%
    Hyacinth 50.48%
    Herbal 46.3%
    Lily 41.41%
    Balsamic 40.41%
    Muguet 39.84%

     

    Flavor
    Green 79.12%
    Floral 60.28%
    Sweet 58.38%
    Fresh 51.59%
    Hyacinth 45.12%
    Rose 41.04%
    Balsam 39.65%
    Spicy 36.15%
    Earthy 34.65%
    Herbal 33.43%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.84 (neutral)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Flash point

    • 117.16 ˚C est.

  • Synonyms

    • 3-Phenyl-1-butanol
    • 3-Phenylbutan-1-ol
    • 2722-36-3
    • Benzenepropanol, .gamma.-methyl-
    • Benzenepropanol, gamma-methyl-
    • 3-phenyl butanol
    • 3-phenyl-butanol
    • EINECS 220-335-8
    • AI3-11558
    • Benzenepropanol,g-methyl-
    • (+)-3-phenyl-l-butanol
    • (+)-3-phenyl-1-butanol
    • SCHEMBL81404
    • 3-Phenyl-1-butanol, 99%
    • DTXSID00949945
    • MFCD00002932
    • AKOS009156890
    • AS-86557
    • NS00048879
    • G77239

  • Applications

    Benzenepropanol, gamma-methyl- (CAS 2722-36-3) is primarily used as an organic synthesis intermediate for fragrance-related compounds in the fragrance industry. In perfumery and cosmetics, it can serve as a fragrance ingredient or odor precursor, contributing to scent profiles. It also functions as a solvent or processing aid in industrial manufacturing. In coatings and inks formulations, it is used as a solvent or intermediate. In polymers and plastics, it serves as a building block for specialty chemicals used in coatings, adhesives, or related applications. Its use is subject to formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11875.73
    methanol 9321.04
    isopropanol 8875.87
    water 2.06
    ethyl acetate 8034.94
    n-propanol 10280.83
    acetone 12372.17
    n-butanol 7002.3
    acetonitrile 11687.34
    DMF 6286.1
    toluene 1067.58
    isobutanol 6540.2
    1,4-dioxane 8972.23
    methyl acetate 7424.48
    THF 7968.91
    2-butanone 7222.89
    n-pentanol 3035.84
    sec-butanol 5121.46
    n-hexane 227.03
    ethylene glycol 1417.67
    NMP 3005.59
    cyclohexane 344.14
    DMSO 11643.37
    n-butyl acetate 3246.65
    n-octanol 568.06
    chloroform 5716.54
    n-propyl acetate 2945.25
    acetic acid 4428.34
    dichloromethane 7307.08
    cyclohexanone 5702.42
    propylene glycol 1822.08
    isopropyl acetate 2506.86
    DMAc 1899.0
    2-ethoxyethanol 3358.47
    isopentanol 3953.83
    n-heptane 176.04
    ethyl formate 4313.63
    1,2-dichloroethane 6364.63
    n-hexanol 3150.53
    2-methoxyethanol 7453.75
    isobutyl acetate 1106.14
    tetrachloromethane 1009.05
    n-pentyl acetate 829.74
    transcutol 5984.2
    n-heptanol 703.32
    ethylbenzene 400.82
    MIBK 1780.42
    2-propoxyethanol 3904.64
    tert-butanol 7160.49
    MTBE 4444.79
    2-butoxyethanol 1242.13
    propionic acid 5525.17
    o-xylene 441.63
    formic acid 1194.12
    diethyl ether 6754.48
    m-xylene 624.11
    p-xylene 421.32
    chlorobenzene 1730.47
    dimethyl carbonate 1098.43
    n-octane 50.91
    formamide 3398.85
    cyclopentanone 6936.91
    2-pentanone 5723.93
    anisole 1151.65
    cyclopentyl methyl ether 3848.57
    gamma-butyrolactone 7840.42
    1-methoxy-2-propanol 4170.99
    pyridine 4362.28
    3-pentanone 3276.47
    furfural 3276.98
    n-dodecane 31.99
    diethylene glycol 1919.52
    diisopropyl ether 903.15
    tert-amyl alcohol 3345.63
    acetylacetone 3244.19
    n-hexadecane 36.93
    acetophenone 757.3
    methyl propionate 5051.21
    isopentyl acetate 1828.26
    trichloroethylene 7911.33
    n-nonanol 421.28
    cyclohexanol 3100.21
    benzyl alcohol 884.09
    2-ethylhexanol 1069.24
    isooctanol 506.22
    dipropyl ether 2102.93
    1,2-dichlorobenzene 1022.27
    ethyl lactate 587.11
    propylene carbonate 2606.67
    n-methylformamide 7859.01
    2-pentanol 3431.34
    n-pentane 255.56
    1-propoxy-2-propanol 2493.83
    1-methoxy-2-propyl acetate 1872.7
    2-(2-methoxypropoxy) propanol 579.3
    mesitylene 312.12
    ε-caprolactone 4077.17
    p-cymene 223.82
    epichlorohydrin 8450.79
    1,1,1-trichloroethane 4022.79
    2-aminoethanol 3809.94
    morpholine-4-carbaldehyde 3227.22
    sulfolane 5851.58
    2,2,4-trimethylpentane 101.46
    2-methyltetrahydrofuran 7128.57
    n-hexyl acetate 1049.58
    isooctane 95.16
    2-(2-butoxyethoxy)ethanol 1125.72
    sec-butyl acetate 1152.45
    tert-butyl acetate 1848.49
    decalin 115.19
    glycerin 1343.06
    diglyme 2659.52
    acrylic acid 3041.89
    isopropyl myristate 273.27
    n-butyric acid 6909.6
    acetyl acetate 1726.99
    di(2-ethylhexyl) phthalate 202.31
    ethyl propionate 2065.93
    nitromethane 10925.97
    1,2-diethoxyethane 2825.03
    benzonitrile 1390.17
    trioctyl phosphate 200.88
    1-bromopropane 3237.25
    gamma-valerolactone 6625.21
    n-decanol 308.14
    triethyl phosphate 317.77
    4-methyl-2-pentanol 1003.72
    propionitrile 6588.92
    vinylene carbonate 2102.14
    1,1,2-trichlorotrifluoroethane 2624.12
    DMS 685.79
    cumene 218.1
    2-octanol 384.04
    2-hexanone 2563.11
    octyl acetate 380.91
    limonene 455.35
    1,2-dimethoxyethane 4875.87
    ethyl orthosilicate 333.06
    tributyl phosphate 260.84
    diacetone alcohol 1795.27
    N,N-dimethylaniline 435.27
    acrylonitrile 6226.95
    aniline 2066.91
    1,3-propanediol 4677.21
    bromobenzene 1582.4
    dibromomethane 4517.14
    1,1,2,2-tetrachloroethane 4867.88
    2-methyl-cyclohexyl acetate 620.35
    tetrabutyl urea 306.82
    diisobutyl methanol 456.4
    2-phenylethanol 888.76
    styrene 614.98
    dioctyl adipate 351.63
    dimethyl sulfate 1202.16
    ethyl butyrate 1775.65
    methyl lactate 998.74
    butyl lactate 548.1
    diethyl carbonate 802.08
    propanediol butyl ether 841.69
    triethyl orthoformate 739.54
    p-tert-butyltoluene 216.04
    methyl 4-tert-butylbenzoate 440.12
    morpholine 11027.01
    tert-butylamine 3990.92
    n-dodecanol 224.2
    dimethoxymethane 4517.29
    ethylene carbonate 2166.13
    cyrene 485.34
    2-ethoxyethyl acetate 1243.28
    2-ethylhexyl acetate 1188.95
    1,2,4-trichlorobenzene 1117.3
    4-methylpyridine 3602.85
    dibutyl ether 1000.81
    2,6-dimethyl-4-heptanol 456.4
    DEF 4329.49
    dimethyl isosorbide 988.42
    tetrachloroethylene 3297.77
    eugenol 446.04
    triacetin 590.16
    span 80 547.47
    1,4-butanediol 1214.63
    1,1-dichloroethane 6522.41
    2-methyl-1-pentanol 1555.61
    methyl formate 4815.71
    2-methyl-1-butanol 3695.72
    n-decane 60.83
    butyronitrile 6078.3
    3,7-dimethyl-1-octanol 519.59
    1-chlorooctane 354.55
    1-chlorotetradecane 103.04
    n-nonane 65.86
    undecane 42.7
    tert-butylcyclohexane 117.18
    cyclooctane 94.46
    cyclopentanol 3923.73
    tetrahydropyran 8988.35
    tert-amyl methyl ether 1827.22
    2,5,8-trioxanonane 1108.52
    1-hexene 1322.67
    2-isopropoxyethanol 1789.26
    2,2,2-trifluoroethanol 1039.08
    methyl butyrate 3052.8

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction